SCHEMBL695751

SCHEMBL695751

Cc1cc([N+](=O)[O-])ccc1CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TDP1 Q9NUW8 3/20 0.60
TSHR P16473 3/20 0.60
CYP3A4 P08684 3/20 0.56
CYP1A2 P05177 2/20 0.47
MAPT P10636 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ACHE P22303 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CRHBP P24387 1/20 0.45
CYP2C19 P33261 1/20 0.45
CRHR2 Q13324 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GPR35 Q9HC97 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.44
THRB P10828 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14524934 0.86 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL10941977 0.86 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL502546 0.85 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL11188405 0.85 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL10139118 0.85 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL260788 0.82 CYP1A2 (0.51) ALDH1A1TDP1TSHRCYP1A2MAPT
SCHEMBL29367937 0.82 CYP1A2 (0.51) ALDH1A1TDP1TSHRCYP1A2MAPT
SCHEMBL695556 0.81 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL8110785 0.81 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4CYP1A2
SCHEMBL30933154 0.81 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260055108-A1 TRIAZINE COMPOUNDS AND USES THEREOF HUTCHMED LTD (CN) 2026-02-26 US disclosed
US-12275686-B2 NO donor compound, preparation method thereof, pharmaceutical composition comprising same, and use thereof SOUTHEAST UNIVERSITY (CN) 2025-04-15 US disclosed
EP-4484409-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Southeast University (CN) 2025-01-01 EP disclosed
US-20240409500-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SOUTHEAST UNIVERSITY (CN) 2024-12-12 US disclosed
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 US disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 EP disclosed
WO-2023235464-A1 NOVEL EQUILIBRATIVE NUCLEOSIDE TRANSPORTER INHIBITORS AND METHODS OF MAKING AND USING SAME DUKE UNIVERSITY (US) 2023-12-07 WO disclosed
US-11759527-B2 Anti-EGFR antibody-drug conjugates ABBVIE INC. (US) 2023-09-19 US disclosed
WO-2023160344-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 东南大学 2023-08-31 WO disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP disclosed
US-7906522-B2 2-aminoquinazoline derivatives KYOWA HAKKO KIRIN CO., LTD (JP) 2011-03-15 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US disclosed
CN-101516860-A Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG (CH) 2009-08-26 CN disclosed
EP-2066647-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS Novartis AG (CH) 2009-06-10 EP disclosed
US-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-28 US disclosed
WO-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
EP-1878727-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES SLC7A1, SLC38A7, PRMT7 ALDH1A1 1329/4885TDP1 2847/4885TSHR 581/4885
US-12275686-B2 NO donor compound, preparation method thereof, pharmaceutical composition comprising same, and use thereof HIF1A, NOS1, NOS2 ALDH1A1 497/4885TDP1 985/4885TSHR 4509/4885
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors JAK2, JAK3, JAK1 ALDH1A1 1245/4885TDP1 3043/4885TSHR 1681/4885
US-20260055108-A1 TRIAZINE COMPOUNDS AND USES THEREOF CBR1, CNR1, CBR3 ALDH1A1 1308/4885TDP1 3850/4885TSHR 98/4885
US-11759527-B2 Anti-EGFR antibody-drug conjugates EGFR, ERBB2, ERBB3 ALDH1A1 1828/4885TDP1 3514/4885TSHR 1240/4885
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 ALDH1A1 2707/4885TDP1 2584/4885TSHR 1389/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 ALDH1A1 4225/4885TDP1 635/4885TSHR 4611/4885
US-20240409500-A1 NO DONOR COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF HIF1A, NOS1, NOS2 ALDH1A1 497/4885TDP1 985/4885TSHR 4509/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 ALDH1A1 447/4885TDP1 4000/4885TSHR 4136/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.